Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Modeling, preparation and characterization of new fluorophores for smart polymer composite films
2012 Pucci, A.; Bellina, F.; Lessi, M.; Carta, L.; Cappelli, Chiara; Prampolini, G.; Barone, Vincenzo
Modelling polymerization reaction at aluminum based catalysts: is DFT a reliable computational tool
2001 Talarico, G.; Barone, Vincenzo; Budzelaar, P. H. M.; Adamo, C.
Modelling the anharmonic and Coriolis resonances within the six level polyad involving the ν4 fundamental in the ro-vibrational spectrum of vinyl fluoride
2012 Tasinato, Nicola; Stoppa, Paolo; Pietropolli Charmet, Andrea; Giorgianni, Santi; Gambi, Alberto
Modelling the Solvation of Peptides. The case of (s)-N-Acetylproline Amide in Liquid Water
2008 Cappelli, Chiara; Mennucci, B.
Modelling Weak Interactions in the Gas Phase: From Rotational Spectroscopy to Reaction Rates Using Accurate Quantum-Chemical Approaches
2022 Alessandrini, Silvia
Models of Aged Magnesium–Silicate–Hydrate Cements Based on the Lizardite and Talc Crystals: A Periodic DFT-GIPAW Investigation
2017 Pedone, Alfonso; Palazzetti, Federico; Barone, Vincenzo
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations
2019 Nandi, Surajit; Calderini, D.; Bloino, J.; Rampino, S.; Barone, V.
Modification and photostabilization of low density polyethylene film by photodecomposition of various diazo-compounds and methyl azidocarboxylate
2007 J., Mosnacek; M., Bertoldo; C., Kosa; Cappelli, Chiara; G., Ruggeri; I., Lukac; F., Ciardelli
Modified virtual orbitals for CI calculations of energy splitting in organic diradicals
2009 Barone, Vincenzo; I., Cacelli; A., Ferretti; G., Prampolini
A Modular Implementation for the Simulation of 1D and 2D Solid-State NMR Spectra of Quadrupolar Nuclei in the Virtual Multifrequency Spectrometer-Draw Graphical Interface
2017 Presti, Davide; Pedone, Alfonso; Licari, Daniele; Barone, Vincenzo
MODULATION OF INTRAMOLECULAR PROTON-TRANSFER BY ELECTRONIC EXCITATION AND ENVIRONMENT - 2-PYRIDONE AS A CASE-STUDY
1994 Barone, Vincenzo; Adamo, C.
Modulation of the Optical Response of Polyethylene Films Containing Luminescent Perylene Chromophores
2008 F., Donati; A., Pucci; Cappelli, Chiara; Mennucci, B; G., Ruggeri
Modulation of the Superstructure and Response of Macromolecules through Molecular Interactions and Nanodispersion
2006 Ciardelli, F; Pieroni, O; Bronco, S; Cappelli, Chiara; Ruggeri, G; Pucci, A.
Modulation of π character upon complexation captured by molecular rotation spectra
2022 Zheng, Yang; Yang, Qin; Herbers, Sven; Cheng, Wanying; Jiang, Zhongming; Wang, Hao; Xu, Xuefang; Bloino, JULIEN ROLAND MICHEL; Gou, Qian
Moka: Designing a Simple Scene Graph Library for Cluster-Based Virtual Reality Systems
2014 Salvadori, Andrea; Brogni, Andrea; Mancini, Giordano; Barone, Vincenzo
Molecular Dynamics Simulations of the Self-Assembly of Tetraphenylporphyrin-Based Monolayers and Bilayers at a Silver Interface
2011 Barone, Vincenzo; M., Casarin; D., Forrer; S., Monti; G., Prampolini
Molecular dynamics simulations enforcing nonperiodic boundary conditions: new developments and application to the solvent shifts of nitroxide magnetic parameters
2022 Mancini, Giordano; Fusè, Marco; Lipparini, Filippo; Nottoli, Michele; Scalmani, Giovanni; Barone, Vincenzo
Molecular dynamics simulations in a NpT ensemble using non-periodic boundary conditions
2009 Brancato, Giuseppe; N., Rega; Barone, Vincenzo
The molecular electric quadrupole moment and electric-field-gradient induced birefringence (Buckingham effect) of Cl2
2004 Cappelli, Chiara; U., Ekstrom; A., Rizzo; S., Coriani
Molecular electrometer and binding of cations to phospholipid bilayers
2016 Catte, Andrea; Girych, Mykhailo; Javanainen, Matti; Loison, Claire; Melcr, Josef; Miettinen, Markus S.; Monticelli, Luca; Määttä, Jukka; Oganesyan, Vasily S.; Ollila, O H Samuli; Tynkkynen, Joona; Vilov, Sergey
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